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2D Structure
Also known as: 85187-37-7, Hustazol, Nitossil, Sekin, Cloperastine fendizoate [jan], Einecs 286-126-9
Molecular Formula
C40H38ClNO5
Molecular Weight
648.2  g/mol
InChI Key
PXZFKAKWSHBDCP-UHFFFAOYSA-N
FDA UNII
2M105305SU

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;2-(4-hydroxy-3-phenylbenzoyl)benzoic acid
2.1.2 InChI
InChI=1S/C20H24ClNO.C20H14O4/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22;21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1,3-4,7-12,20H,2,5-6,13-16H2;1-12,21H,(H,23,24)
2.1.3 InChI Key
PXZFKAKWSHBDCP-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
2M105305SU
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 85187-37-7

2. Hustazol

3. Nitossil

4. Sekin

5. Cloperastine Fendizoate [jan]

6. Einecs 286-126-9

7. Hustazol (tn)

8. Unii-2m105305su

9. 2m105305su

10. 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;2-(4-hydroxy-3-phenylbenzoyl)benzoic Acid

11. Chebi:31419

12. Cloperastine Fendizoate [mart.]

13. Cloperastine Fendizoate [who-dd]

14. O-((2'-hydroxy(1,1'-biphenyl)-4-yl)carbonyl)benzoic Acid, Compoundwith 1-(2-(4-chlorobenzhydryloxy)ethyl)piperidine (1:1)

15. Cloperastine Fendizoate (jan)

16. Cloperastine Fendizoate (mart.)

17. 1-(2-((4-chlorophenyl)(phenyl)methoxy)ethyl)piperidine 2-(6-hydroxy-[1,1'-biphenyl]-3-carbonyl)benzoate

18. 1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]-hydroxy[1,1'-biphenyl]-3-yl)carbonyl]benzoate Piperidine

19. Cloperastinefendizoate

20. Cloperastine Fendizoate (jp18)

21. Dtxsid001005645

22. Hy-b2179

23. Mfcd01661515

24. Akos040740750

25. Cs-7697

26. Bs-44741

27. Da-51971

28. Sy317590

29. D01569

30. E74488

31. J-520104

32. Q27254909

33. 1-[2-[(4-chlorophenyl)(phenyl)methoxy]ethyl]piperidine 2-(6-hydroxybiphenyl-3-carbonyl)benzoate

34. 2-(6-hydroxy[1,1'-biphenyl]-3-carbonyl)benzoic Acid--1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine (1/1)

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 648.2 g/mol
Molecular Formula C40H38ClNO5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area87.1
Heavy Atom Count47
Formal Charge0
Complexity772
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2